4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol

C17H18F3N3O2 — CID 22380390

IUPAC4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncncc2Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)11-1-7-14(8-2-11)25-15-9-21-10-22-16(15)23-12-3-5-13(24)6-4-12/h1-2,7-10,12-13,24H,3-6H2,(H,21,22,23)
InChIKeyKFBKRZUSACROEN-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.00
Rot. Bonds4

About 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 22380390) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID22380390
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncncc2Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)11-1-7-14(8-2-11)25-15-9-21-10-22-16(15)23-12-3-5-13(24)6-4-12/h1-2,7-10,12-13,24H,3-6H2,(H,21,22,23)
InChIKeyKFBKRZUSACROEN-UHFFFAOYSA-N
XLogP4.00
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 22380390) is 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ncncc2Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is KFBKRZUSACROEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)11-1-7-14(8-2-11)25-15-9-21-10-22-16(15)23-12-3-5-13(24)6-4-12/h1-2,7-10,12-13,24H,3-6H2,(H,21,22,23).
What are the key properties of 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 353.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 22380390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).